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HEDERAGENIN-3-O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE
SpectraBase Compound ID K9aMmtVn7M7
InChI InChI=1S/C58H94O26/c1-24-34(64)45(83-49-41(71)38(68)44(30(20-60)79-49)82-48-40(70)37(67)43(29(19-59)78-48)81-47-39(69)35(65)27(62)21-75-47)42(72)50(77-24)84-46-36(66)28(63)22-76-51(46)80-33-11-12-54(4)31(55(33,5)23-61)10-13-57(7)32(54)9-8-25-26-18-53(2,3)14-16-58(26,52(73)74)17-15-56(25,57)6/h8,24,26-51,59-72H,9-23H2,1-7H3,(H,73,74)/t24-,26?,27+,28-,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43-,44+,45+,46+,47-,48-,49-,50+,51+,54-,55-,56+,57+,58-/m0/s1
InChIKey VPIKFTXSQHVPSK-ZTDVKUFGSA-N
Mol Weight 1207.4 g/mol
Molecular Formula C58H94O26
Exact Mass 1206.603333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKjTZqdcvAn
Name HEDERAGENIN-3-O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H94O26
InChI InChI=1S/C58H94O26/c1-24-34(64)45(83-49-41(71)38(68)44(30(20-60)79-49)82-48-40(70)37(67)43(29(19-59)78-48)81-47-39(69)35(65)27(62)21-75-47)42(72)50(77-24)84-46-36(66)28(63)22-76-51(46)80-33-11-12-54(4)31(55(33,5)23-61)10-13-57(7)32(54)9-8-25-26-18-53(2,3)14-16-58(26,52(73)74)17-15-56(25,57)6/h8,24,26-51,59-72H,9-23H2,1-7H3,(H,73,74)/t24-,26?,27+,28-,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43-,44+,45+,46+,47-,48-,49-,50+,51+,54-,55-,56+,57+,58-/m0/s1
InChIKey VPIKFTXSQHVPSK-ZTDVKUFGSA-N
Literature Reference Author K.Y.JUNG,J.C.DO,K.H.SON
Literature Reference Citation J.NAT.PROD.,56,1912(1993)
Literature Reference DOI 10.1021/np50101a007
Molecular Weight 1207.369 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS5173